5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde

C21H29NO4SSi — CID 86719045

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde
SMILESCS(=O)c1ccc(-c2nc(C=O)ccc2OCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H29NO4SSi/c1-21(2,3)28(5,6)26-14-13-25-19-12-9-17(15-23)22-20(19)16-7-10-18(11-8-16)27(4)24/h7-12,15H,13-14H2,1-6H3
InChIKeyLEDGZWIKINYSIF-UHFFFAOYSA-N
MW419.62 g/mol
LogP4.70
Rot. Bonds8

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde

5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde (PubChem CID 86719045) has the molecular formula C21H29NO4SSi and a molecular weight of 419.62 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde
PubChem CID86719045
Molecular FormulaC21H29NO4SSi
Molecular Weight419.62 g/mol
Exact Mass419.16
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde
SMILESCS(=O)c1ccc(-c2nc(C=O)ccc2OCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H29NO4SSi/c1-21(2,3)28(5,6)26-14-13-25-19-12-9-17(15-23)22-20(19)16-7-10-18(11-8-16)27(4)24/h7-12,15H,13-14H2,1-6H3
InChIKeyLEDGZWIKINYSIF-UHFFFAOYSA-N
XLogP4.70
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2-carbaldehyde
CID 142526581
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-formylbenzonitrile
CID 166136317
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
tert-butyl-[(E)-4-iodo-4-[(S)-(4-methylphenyl)sulfinyl]but-3-enoxy]-dimethylsilane
CID 25139104
tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane
CID 101158709
[(E)-3,4-bis[(4-methylphenyl)sulfinyl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 12066078
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide
CID 90167893
3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
CID 58083069
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde (CID 86719045) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde is CS(=O)c1ccc(-c2nc(C=O)ccc2OCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde?
The InChIKey is LEDGZWIKINYSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4SSi/c1-21(2,3)28(5,6)26-14-13-25-19-12-9-17(15-23)22-20(19)16-7-10-18(11-8-16)27(4)24/h7-12,15H,13-14H2,1-6H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde?
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde has a molecular weight of 419.62 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(4-methylsulfinylphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 86719045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).